Chemical Properties of Halazepam M (hydroxy-), isomer 2, hydrolysis, acetylated

InChI

InChI=1S/C19H15ClF3NO4/c1-11(25)24(10-19(21,22)23)16-8-7-13(20)9-15(16)18(27)14-5-3-4-6-17(14)28-12(2)26/h3-9H,10H2,1-2H3

InChI Key

PFSDCVSLEGOTPZ-UHFFFAOYSA-N

Formula

C19H15ClF3NO4

SMILES

CC(=O)Oc1ccccc1C(=O)c1cc(Cl)ccc1N(CC(F)(F)F)C(C)=O

Molecular Weight¹

413.77

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.92; 808.51]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.16900e+00
Coefficient B			1.65364e+00
Coefficient C			-1.09308e-03
Coefficient D			2.51120e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.92	J/mol×K	273.00	Calculated Property
Cp,gas	456.16	J/mol×K	353.78	Calculated Property
Cp,gas	529.62	J/mol×K	434.56	Calculated Property
Cp,gas	593.09	J/mol×K	515.33	Calculated Property
Cp,gas	647.35	J/mol×K	596.11	Calculated Property
Cp,gas	693.22	J/mol×K	676.89	Calculated Property
Cp,gas	731.47	J/mol×K	757.67	Calculated Property
Cp,gas	762.91	J/mol×K	838.44	Calculated Property
Cp,gas	788.32	J/mol×K	919.22	Calculated Property
Cp,gas	808.51	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Halazepam M (hydroxy-), isomer 2, hydrolysis, acetylated.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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